N-(3-oxidanylidene-1H-2-benzofuran-5-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(3-oxidanylidene-1H-2-benzofuran-5-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(3-oxo-1H-isobenzofuran-5-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-(3-oxo-1H-isobenzofuran-5-yl)-2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(3-oxo-1H-2-benzofuran-5-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(3-ketophthalan-5-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC4=C(COC4=O)C=C3)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3=CC4=C(COC4=O)C=C3)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4S/c30-23(9-6-17-4-2-1-3-5-17)29-12-10-18(11-13-29)25-28-22(16-34-25)24(31)27-20-8-7-19-15-33-26(32)21(19)14-20/h1-5,7-8,14,16,18H,10-13,15H2,(H,27,31)